UCSF

ZINC37856276

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.30 -1.09 -38.97 1 5 -1 82 305.307 3
Mid Mid (pH 6-8) 1.85 1.17 -9.74 2 5 0 79 306.315 3
Mid Mid (pH 6-8) 2.30 -0.9 -93.04 0 5 -2 84 304.299 3
Mid Mid (pH 6-8) 2.30 -1.68 -37.36 1 5 -1 81 305.307 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )